CHEMBL430841


SMILES Cc1ccc(-c2ccccc2C(=O)Nc2ccc(C(=O)N3C[C@@H]4C5CCC(C5)N4Cc4cc(Cl)ccc43)cc2)cc1
InChIKey AGTYAPDOOSGWIN-ZTFYXODMSA-N

Chemical properties

Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 4
Molecular weight (Da) 561.2

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
V2 V2R Human Vasopressin and oxytocin A pKi 7.89 7.89 7.89 ChEMBL
V1A V1AR Human Vasopressin and oxytocin A pKi 7.64 7.64 7.64 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
V2 V2R Human Vasopressin and oxytocin A pIC50 8.3 8.3 8.3 ChEMBL
V1A V1AR Human Vasopressin and oxytocin A pIC50 7.62 7.62 7.62 ChEMBL